Non-Linear Optical Response in Atoms, Molecules and Clusters

Beschreibung

The aim of this brief is to present, in sufficient detail, a non-perturbative technique for calculating optical hyperpolarizabilities. The ability to efficiently compute hyperpolarizabilities, for a variety of different molecular systems, makes this brief invaluable for those engaged in the computational design of new electro-optical materials. The resulting computation is very predictable and suitable for automation, in contrast to perturbative methods that typically rely on iterative methods. The methodology which is wholly applicable to atoms, molecules, clusters (and with some modifications) to condensed matter, is described and illustrated at a level that is accessible to theoreticians and supplemented with details that should be of interest to practitioners.
Presents new and established techniques For practitioners of theoretical models A good companion to established texts Suitable for automatic high throughput calculations Includes supplementary material: sn.pub/extras

Autor*in

Vladimir Goncharov

Themen in »Non-Linear Optical Response in Atoms, Molecules and Clusters«

Hyperpolarizability Molecules in Laser Field Non-linear Optics Time-dependent Density Functional Theor

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